SCHEMBL4966459

SCHEMBL4966459

NC(=O)c1cccc(NC(=O)c2ccc([C@H]3CCCCN3C(=O)O)cc2F)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
USP2 O75604 1/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
PARP14 Q460N5 2/20 0.39
BCL3 P20749 1/20 0.37
PARP10 Q53GL7 1/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 2/20 0.36
HDAC1 Q13547 1/20 0.36
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RIPK1 Q13546 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL205259 0.79 RIPK1 (0.41) ALDH1A1HTTL3MBTL1USP2GLA
SCHEMBL4968626 0.76 CFB (0.47) SMN1; SMN2HPGDRIPK1POLB
SCHEMBL4968612 0.76 CFB (0.47) SMN1; SMN2HPGDRIPK1POLB
SCHEMBL4965759 0.73 RIPK1 (0.43) ALDH1A1HTTTSHRSMN1; SMN2MAPT
SCHEMBL5533451 0.72 PARP14 (0.42) HTTPARP14PARP10RIPK1
SCHEMBL4964480 0.69 RIPK1 (0.41) PARP14PARP10HPGDRIPK1POLB
SCHEMBL6246105 0.69 RIPK1 (0.66) TSHRPARP14PARP10LMNARIPK1
SCHEMBL26985216 0.68 RIPK1 (0.41) RIPK1
SCHEMBL27128622 0.68 RIPK1 (0.41) RIPK1
SCHEMBL26985110 0.68 RIPK1 (0.41) RIPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296235-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBVIE INC. 2014-10-02 US disclosed
US-8697736-B2 1H-benzimidazole-4-carboxamides substituted with phenyl at the 2-position are potent PARP inhibitors ABBVIE INC. (US) 2014-04-15 US disclosed
WO-2012038751-A3 PROCESS FOR THE PURIFICATION OF AROMATIC DICARBOXYLIC ACID DAVY PROCESS TECHNOLOGY LIMITED (GB) 2012-05-10 WO disclosed
EP-1957477-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LAB (US) 2011-12-07 EP disclosed
EP-1957477-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2008-08-20 EP disclosed
US-20070179136-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-08-02 US disclosed
WO-2007041357-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-04-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140296235-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 ALDH1A1 193/4885HTT 3093/4885L3MBTL1 1756/4885
US-20070179136-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 ALDH1A1 199/4885HTT 3123/4885L3MBTL1 1794/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.